A simple method for prediction of density of ionic liquids through their molecular structure

This paper introduces a reliable simple method to estimate density of a wide range of different types of ionic liquids. This method is based on two novel correlations in which the size, structure and type of cations and anions are essential parameters. The first correlation is derived from elemental composition, which is modified on the basis of correcting functions in the second one in order to consider inter ionic interactions and obtain more reliable results. For 249 different types of ionic liquids, where their calculated values with one of the best available methods were available, these correlations have been derived. The results of two simple correlations give good predictions as compared to the outputs of complex method. The new models have also been tested with experimental data of 235 new ionic liquids at atmospheric pressure and ambient temperatures that provide good predictions.